2-[(5-oxidanidyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate

Systemtic Name: 2-[(5-oxidanidyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate Openeye Name: 2-[(5-oxido-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(5-oxido-1,2,4-triazin-3-yl)thio]methyl]benzoate IUPAC Name: 2-[(5-oxido-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(5-oxido-1,2,4-triazin-3-yl)thio]methyl]benzoate Formula: C11H7N3O3S-2 MolecularWeight: 261.25658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC(=CN=N2)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC(=CN=N2)[O-])C(=O)[O-]

InChI

InChI=1S/C11H9N3O3S/c15-9-5-12-14-11(13-9)18-6-7-3-1-2-4-8(7)10(16)17/h1-5H,6H2,(H,16,17)(H,13,14,15)/p-2